N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Openeye Name: N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide CAS Name: N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methylamino]ethyl]-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-oxo-3-propylpyrazol-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Traditional Name: N-ethyl-4-[2-[[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methylamino]ethyl]piperazine-1-carbothioamide Formula: C22H31FN6OS MolecularWeight: 446.584543

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCC1=NN(C(=O)C1=CNCCN2CCN(CC2)C(=S)NCC)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H31FN6OS/c1-3-5-20-19(21(30)29(26-20)18-8-6-17(23)7-9-18)16-24-10-11-27-12-14-28(15-13-27)22(31)25-4-2/h6-9,16,24H,3-5,10-15H2,1-2H3,(H,25,31)